ethyl 4-[(4-benzamido-2,5-diethoxy-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[(4-benzamido-2,5-diethoxy-phenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(4-benzamido-2,5-diethoxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(4-benzamido-2,5-diethoxyanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzamido-2,5-diethoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-benzamido-2,5-diethoxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C27H28N4O5S MolecularWeight: 520.60002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC2=C3C(=C(SC3=NC=N2)C(=O)OCC)C)OCC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=C(C=C1NC2=C3C(=C(SC3=NC=N2)C(=O)OCC)C)OCC)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O5S/c1-5-34-20-14-19(31-25(32)17-11-9-8-10-12-17)21(35-6-2)13-18(20)30-24-22-16(4)23(27(33)36-7-3)37-26(22)29-15-28-24/h8-15H,5-7H2,1-4H3,(H,31,32)(H,28,29,30)